4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

C15H18N2O6S — CID 119215901

IUPAC4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O6S/c1-2-7-16-24(21,22)12-5-3-11(4-6-12)14(18)17-8-9-23-10-13(17)15(19)20/h2-6,13,16H,1,7-10H2,(H,19,20)
InChIKeyGARAJBBONMXRQP-UHFFFAOYSA-N
MW354.38 g/mol
LogP0.08
Rot. Bonds6

About 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid

4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (PubChem CID 119215901) has the molecular formula C15H18N2O6S and a molecular weight of 354.38 g/mol. Its IUPAC name is 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.

Molecular Properties

Compound Name4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
PubChem CID119215901
Molecular FormulaC15H18N2O6S
Molecular Weight354.38 g/mol
Exact Mass354.09
IUPAC Name4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
SMILESC=CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1
InChIInChI=1S/C15H18N2O6S/c1-2-7-16-24(21,22)12-5-3-11(4-6-12)14(18)17-8-9-23-10-13(17)15(19)20/h2-6,13,16H,1,7-10H2,(H,19,20)
InChIKeyGARAJBBONMXRQP-UHFFFAOYSA-N
XLogP0.08
TPSA113.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-[4-(ethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216316
4-[4-(2-methoxyethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216832
4-[4-(furan-2-ylmethylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216622
4-[4-(butan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119215860
4-[4-(propan-2-ylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216337
4-[4-(tert-butylsulfamoyl)benzoyl]morpholine-3-carboxylic acid
CID 119216050
4-(prop-2-enylsulfamoyl)benzoic acid
CID 2512621
4-(2,3-dimethylpiperazine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 120572157
4-(2-benzylpyrrolidine-1-carbonyl)-N-prop-2-enylbenzenesulfonamide
CID 24627974
(3S)-4-(pyridine-4-carbonyl)morpholine-3-carboxylic acid
CID 124513224
4-[4-(cyclopropylcarbamoyl)benzoyl]morpholine-3-carboxylic acid
CID 120521870
(3R)-4-[4-(methylsulfanylmethyl)benzoyl]morpholine-3-carboxylic acid
CID 124513267

Frequently Asked Questions

What is the IUPAC name of 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The IUPAC name of 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid (CID 119215901) is 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid.
What is the SMILES notation for 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The canonical SMILES for 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is C=CCNS(=O)(=O)c1ccc(C(=O)N2CCOCC2C(=O)O)cc1.
What is the InChIKey of 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
The InChIKey is GARAJBBONMXRQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O6S/c1-2-7-16-24(21,22)12-5-3-11(4-6-12)14(18)17-8-9-23-10-13(17)15(19)20/h2-6,13,16H,1,7-10H2,(H,19,20).
What are the key properties of 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid?
4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid has a molecular weight of 354.38 g/mol, XLogP of 0.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(prop-2-enylsulfamoyl)benzoyl]morpholine-3-carboxylic acid is sourced from PubChem (CID 119215901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).